2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol

C14H21FO3 — CID 116752804

IUPAC2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
SMILESCCC(CC)(OC)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO3/c1-5-14(6-2,18-4)13(16)10-7-8-12(17-3)11(15)9-10/h7-9,13,16H,5-6H2,1-4H3
InChIKeyPAYPDIGXAQONFW-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.07
Rot. Bonds6

About 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol

2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol (PubChem CID 116752804) has the molecular formula C14H21FO3 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
PubChem CID116752804
Molecular FormulaC14H21FO3
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
SMILESCCC(CC)(OC)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H21FO3/c1-5-14(6-2,18-4)13(16)10-7-8-12(17-3)11(15)9-10/h7-9,13,16H,5-6H2,1-4H3
InChIKeyPAYPDIGXAQONFW-UHFFFAOYSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-fluoro-4-methoxyphenyl)butane-1,2-diol
CID 103449386
2-(aminomethyl)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutan-1-ol
CID 79125953
2-(dimethylamino)-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 79046198
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanol
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2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
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CID 83000611
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
1-(3-fluoro-4-methoxyphenyl)undecan-1-ol
CID 65151223
2-(diethylamino)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 112510192
1-(3-fluoro-4-methoxyphenyl)-3-methylidenepentan-1-ol
CID 115817551

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol?
The IUPAC name of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol (CID 116752804) is 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol?
The canonical SMILES for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol is CCC(CC)(OC)C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol?
The InChIKey is PAYPDIGXAQONFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO3/c1-5-14(6-2,18-4)13(16)10-7-8-12(17-3)11(15)9-10/h7-9,13,16H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol?
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol has a molecular weight of 256.32 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol is sourced from PubChem (CID 116752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).